BVDV-IN-1 - 10mM in DMSO , CAS No.345651-04-9

CAS: 345651-04-9 Cat. No.: B654716 Formula: C₂₀H₂₂N₄O Molecular Weight: 334.41

GRADE & PURITY 10mM in DMSO

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

BVDV-IN-1 is a non-nucleoside inhibitor (NNI) of bovine viral diarrhea virus (BVDV) , with an EC 50 of 1.8 μM. BVDV-IN-1 directly binds to a hydrophobic pocket of the BVDV RdRp. BVDV-IN-1 has antiviral activity against BVDV resistant to NNI thiosemicarbazone (TSC).

In Vitro

BVDV-IN-1 (compound 1.9) binds to a hydrophobic pocket of the BVDV RNA-dependent RNA polymerase (RdRp). BVDV-IN-1 inhibits the replication of TSC-resistant BVDV variants in vitro. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Specifications

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

BVDV-IN-1 is a non-nucleoside inhibitor (NNI) of bovine viral diarrhea virus (BVDV) , with an EC 50 of 1.8 μM. BVDV-IN-1 directly binds to a hydrophobic pocket of the BVDV RdRp. BVDV-IN-1 has antiviral activity against BVDV resistant to NNI thiosemicarbaz

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Names and Identifiers

Molecular Weight

334.41

Application Protocols

No item-specific, validated application protocols are provided for this product.

General workflow suggestions (research use only; adapt to your system)

• Stock preparation: Dissolve the compound in anhydrous DMSO to prepare a concentrated stock. Vortex and, if necessary, sonicate briefly. Filter if particulates persist.
• Aliquoting: Dispense single-use aliquots into amber vials or plates to minimize freeze–thaw and light exposure. Backfill with inert gas if feasible.
• Assay addition: Add to assay media by serial dilution, keeping final vehicle concentration within tolerated limits. Include vehicle controls and, where applicable, orthogonal readouts to detect assay interference.
• Stability check: Verify concentration by LC–MS/UV, and assess stability over the assay timeframe at working temperature and light conditions.

These steps are general guidance only and are not validated for BVDV-IN-1; consult your institutional SOPs.

Biological Roles

Item-specific biological targets, mechanisms, or activities are not provided in the product data for BVDV-IN-1. No claims regarding mechanism of action, potency, or selectivity can be made for this catalog entry without the corresponding structural/biological dossier.

General guidance for small-molecule screening compounds

• These materials are often evaluated in biochemical enzyme assays, cell-based phenotypic assays, or binding assays to explore structure–activity relationships and generate preliminary hit profiles.
• Prior to use, confirm identity/purity in-house and establish solubility and vehicle tolerability under your assay conditions.
• Include appropriate controls (vehicle controls, positive/negative assay controls) and evaluate potential assay interference (e.g., intrinsic fluorescence/absorbance, redox activity) before interpreting results.

Documentation

• If you require information on any reported biological roles or literature citations associated with CAS 345651-04-9, please contact us to determine availability. All uses are for research only; no clinical or veterinary applications are supported.

Buffer Applications

This product is a discrete small molecule (screening compound). It is not a buffering reagent and does not define a pH range or buffering capacity.

General lab guidance (if preparing assay buffers that carry the compound)

• Select a biologically relevant buffer (e.g., PBS, HEPES, MOPS) appropriate to your assay’s pH and ionic strength requirements.
• Introduce the compound from a DMSO concentrate into the buffer under vigorous mixing, keeping the final DMSO percentage within your system’s tolerance. Filter if precipitation occurs.
• Monitor for time-dependent precipitation or adsorption to plastics; adjust ionic strength or add non-ionic surfactant if compatible.

Green Alternatives

Green chemistry considerations are generally framed for solvents and commodity reagents. For this item—a discrete small-molecule library compound—direct substitution with a “green alternative” is not applicable because the molecular identity defines its bioactivity.

Practical sustainability steps (general)

• Use minimal DMSO volumes and prepare concentrated stocks to reduce solvent waste.
• Employ microscale assays and high-density plate formats to minimize compound consumption.
• Optimize thaw–aliquot–refreeze workflows to prevent material loss and repeated shipments.
• Where feasible, select greener diluents and buffers (e.g., phosphate, HEPES) and avoid chlorinated solvents during any preparative handling.

If your focus is on greener enabling solvents or assay vehicles, consider alternatives such as aqueous buffer with small percentages of ethanol or PEG-based co-solvents, validating assay compatibility and compound stability beforehand.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or manufacturing use is specified for this item. It is supplied strictly for research use only.

General, non-clinical context

• Small molecules of this type may be used as reference materials in preclinical discovery for bioanalytical method development (e.g., LC–MS calibration, stability-indicating methods) when identity/purity documentation is available.
• Any use in formulation studies should remain strictly non-clinical. Verify solubility in relevant vehicles (e.g., DMSO, PEG 400, ethanol/water mixtures) and conduct forced-degradation studies to understand stability if needed.

Regulatory note

• Not intended for human or veterinary use. Not produced under GMP. No claims are made regarding safety, efficacy, or suitability for therapeutic applications.

Physical Properties

Item-specific values

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point: Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point: Not specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• logP/logD: Not specified for this item; refer to CoA/Spec Sheet.
• pKa: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (non-item-specific)

• Small-molecule library members are frequently supplied as solids or films and are commonly soluble in high-boiling polar aprotic solvents (e.g., DMSO) for screening stock preparation. Miscibility or alternative solvent choices (DMF, ethanol, aqueous co-solvent systems) should be verified experimentally.
• If hygroscopic or light-sensitive (unknown here), minimize air/light exposure during weighing and prepare single-use aliquots to avoid freeze–thaw and moisture uptake.
• Determine purity and identity by LC–MS/HPLC under your method conditions prior to critical assays when item-specific specs are unavailable.

Quality & Grades

Item-specific quality

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
• Chromatographic purity, residual solvents, and counter-ion/water content (if any) are not specified here. Request the latest CoA for batch-specific data.

What “research use only” implies

• Supplied strictly for laboratory research and development. Not for diagnostic, therapeutic, or human/animal consumption/use.

Practical quality considerations for small-molecule library items (general)

• Purity profile: Library members are commonly qualified by LC–MS/HPLC purity. If your application is SAR screening or target validation, confirm purity with your in-house method and assess for assay-interfering motifs (PAINS) where applicable.
• Identity: Orthogonal checks (e.g., HRMS + NMR) are recommended for hit-to-lead work.
• Stability: Light and low-temperature storage are specified for this item; consider nitrogen backfill and desiccation to mitigate oxidative/hydrolytic degradation when structure is unknown.
• Documentation: For regulated workflows or data packages, request available spectral data, CoA, and stability information for the specific lot shipped.

Reaction & Applications

This product is listed as a small-molecule/compound library member intended for research screening and related analytical use. It is not typically employed as a synthetic reagent or building block.

Applicable laboratory uses (general, non-item-specific)

• Biochemical and cell-based assay screening as a test article once identity, purity, and solubility are confirmed in-house.
• Analytical reference standard for method development/qualification in discovery workflows (e.g., LC–MS peak tracking, stability-indicating methods), subject to availability of identity confirmation.

Not typically applicable

• Named organic reactions, stoichiometric transformations, or catalysis: without structural data and with intended use as a screening compound, synthetic reactivity guidance is not applicable. If you intend to derivatize or use in synthesis, please obtain full structural information and reactivity data first.

Reaction Conditions

Not applicable. This product is not supplied for use as a reagent in chemical synthesis, and no structural or reactivity information is provided. Consequently, typical solvents, temperatures, catalysts, or yields cannot be advised for this specific item.

General note (analytical/stability context)

• If developing stability-indicating methods, conduct small pilot studies to assess thermal, photolytic, oxidative, and hydrolytic stress responses under ICH-like conditions (where appropriate for research). Use LC–MS to monitor degradants and inform handling/storage protocols.

Safety & Handling

GHS and hazard data

• Signal word: Not specified for this item; refer to SDS.
• Hazard statements (H-phrases): Not specified for this item; refer to SDS.
• GHS classification and pictograms: Not specified for this item; refer to SDS.

General laboratory precautions (applicable to small organic molecules)

• Handle in a chemical fume hood with appropriate PPE: lab coat, safety glasses, and suitable chemically resistant gloves (e.g., nitrile). Avoid inhalation of dusts/aerosols and contact with skin/eyes.
• Prevent exposure to light if stated or suspected; this product requires protection from light during storage.
• Avoid incompatible reagents until confirmed by SDS/CoA. As a conservative default for unknown organics: keep away from strong oxidizers, strong acids/bases, and sources of ignition.

First-aid overview (consult SDS for details)

• Skin/eye contact: Rinse with plenty of water for at least 15 minutes; remove contaminated clothing; seek medical attention as needed.
• Inhalation: Move to fresh air; keep at rest; seek medical attention if symptoms occur.
• Ingestion: Rinse mouth; do not induce vomiting unless directed by medical personnel; seek medical attention.

Spill and waste

• Small spills: Absorb with inert material (e.g., vermiculite), collect for disposal; decontaminate surface.
• Waste: Dispose according to institutional and local regulations; segregate halogenated vs non-halogenated organic waste when applicable.

Authoritative source: Always defer to the product’s SDS for definitive hazard, exposure limits, and response guidance.

Solvent Selection

Item-specific solubility data are not provided. The following is general guidance for small-molecule screening compounds.

• Primary stock solvent: DMSO is the standard choice for preparing high-concentration screening stocks due to broad solvency and assay compatibility at low final percentages (commonly ≤0.5–1% v/v in assay; verify tolerance for your system).
• Co-solvent strategies: If solubility is limited, consider DMF or NMP for intermediate concentrates, followed by dilution into aqueous buffers with surfactants (e.g., 0.01–0.05% Tween 80) or with co-solvents (ethanol/PEG 400) while monitoring for precipitation.
• Aqueous compatibility: Without structural information, assume low intrinsic aqueous solubility; introduce into buffers via DMSO-seeded dilutions with vigorous mixing and immediate use to minimize crystallization.
• Adsorption and carryover: To reduce loss on plastics, use low-bind polypropylene or glass vials and pre-rinse with working solution when working at sub-micromolar levels.
• Filtration: If particulate forms upon dilution, filter through 0.22 µm PTFE or PES (avoid nylon if cationic/acidic species are suspected).

Decision points versus alternatives

• When assay constraints prohibit DMSO, screen alternative biocompatible vehicles (ethanol, propylene glycol, Captisol) in small pilots and document vehicle controls.
• For LC–MS reference solutions, prefer LC–MS grade solvents and include antioxidant or acid/base modifiers only if compatible with analyte stability (unknown here).

Storage & Reconstitution

Item-specific instructions (from Product Data)

• Storage conditions: Protected from light; Store at -80°C.
• Shipped in: Dry ice packs + Cold packs.

Best practices for small-molecule library compounds (general)

• Receipt and inspection: Upon arrival, confirm the material remained frozen. If thawing occurred, document the excursion and evaluate by LC–MS/HPLC before use.
• Light protection: Maintain in amber containers or wrap in foil. Minimize room-light exposure during handling.
• Aliquoting: If supplied as a solid or film, quickly equilibrate to low humidity, weigh promptly, and prepare single-use DMSO stocks (e.g., in amber screw-cap vials or 96/384-well plates). For solutions, immediately subdivide into single-use aliquots to avoid repeated freeze–thaw cycles.
• Storage of stocks: Store DMSO stocks at -80°C, protected from light. Avoid frost-free freezers that cycle temperatures. Record freeze–thaw count; discard aliquots after a single thaw unless stability has been demonstrated.
• Thawing: Thaw on ice or at ambient temperature briefly, mix thoroughly, and inspect for precipitate. If precipitated, warm gently to room temperature and vortex/sonicate; filter through 0.22 µm if necessary.
• Reconstitution solvent: Not specified for this item; refer to CoA/Spec Sheet. In the absence of item-specific guidance, DMSO is commonly used for small-molecule stocks; confirm compatibility empirically.

Research use note: For research use only.

Structure & Identity

• Item name: BVDV-IN-1 (SKU: B654716)
• CAS: 345651-04-9
• Category: Small-molecule/compound library member (research use)

Item-specific identifiers

• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• CID: Not specified for this item; refer to CoA/Spec Sheet.

Structural features (general notes)

• No structural information is provided in the product data. Without a structure, specific functional groups, ring systems, or stereochemistry cannot be described for this catalog entry.
• If you require definitive structural identity, please request the current Certificate of Analysis (CoA) and/or Spectral Data Pack (1H/13C NMR, LC–MS, HRMS, HPLC chromatogram) when available.

2D structure description (general)

• Not available for this item as no SMILES/InChI were provided. If structural data are supplied, Aladdin can provide a 2D depiction and key functional group annotations upon request.

Synthetic Utility

Not applicable. BVDV-IN-1 is offered as a small-molecule library member for screening and analytical research, not as a synthetic reagent or building block. Structural information is not provided; therefore, discussion of functional-group transformations, protecting-group strategies, or named-reaction participation would be speculative and is omitted.

If you plan to adapt this material for synthetic derivatization or SAR expansion, please obtain full structural data (SMILES/InChI, spectra) and perform preliminary reactivity profiling under inert, anhydrous conditions as appropriate for the inferred functional groups.

Target Specificity

Item-specific target, epitope, or binding profile is not provided. No target specificity claims are made for this product.

• Target name: Not specified for this item; refer to CoA/Spec Sheet.
• Species reactivity: Not specified for this item; refer to CoA/Spec Sheet.
• Assay validations: Not specified for this item; refer to CoA/Spec Sheet.

For experiments requiring known target engagement, please contact us regarding the availability of any literature references or internal data tied to the exact CAS and lot.